Geometry & MOs

Info

ID:	244661
PubChem CID:	99376305
Reduced:	ClN2O3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	380.18667
ΔH_f, kcal/mol:	-159.39
Dipole, Da:	9.08
IP(EA), eV:	-8.53(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[4-(4-chloro-3-methylphenoxy)butanoyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H]1CCCN(C1)C(=O)CCCOC2=CC(=C(C=C2)Cl)C

DOS

IR

Vibrations